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61
SeaWolf-AI commited on
Commit
15f2e16
·
verified ·
1 Parent(s): 9e81e9e

Discovery: add CCl2Nb2 (1CCl2Nb2-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -867,3 +867,4 @@ OSC-01624,1BrC4Cl7Nb8-1,1BrC4Cl7Nb8-1,BrC4Cl7Nb8,discovery,light,,ok,0.12139,0.9
867
  OSC-01626,1LiC12-1,1LiC12-1,C12Li,discovery,light,,ok,0.55773,4.46184,8.0,-0.8554,0.635,,0.3889,0.21475,gaussian_dos_scf_mesh,0.01269,,
868
  OSC-01627,1NaC12-1,1NaC12-1,C12Na,discovery,light,,ok,0.5694,4.5552,8.0,-0.6453,0.5444,,0.4444,0.16021,gaussian_dos_scf_mesh,0.0,,
869
  OSC-01635,2CIY-1,2CIY-1,C2I2Y2,discovery,light,,ok,0.23034,1.84272,8.0,-0.8165,1.748,,0.7222,0.34363,gaussian_dos_scf_mesh,0.00718,,
 
 
867
  OSC-01626,1LiC12-1,1LiC12-1,C12Li,discovery,light,,ok,0.55773,4.46184,8.0,-0.8554,0.635,,0.3889,0.21475,gaussian_dos_scf_mesh,0.01269,,
868
  OSC-01627,1NaC12-1,1NaC12-1,C12Na,discovery,light,,ok,0.5694,4.5552,8.0,-0.6453,0.5444,,0.4444,0.16021,gaussian_dos_scf_mesh,0.0,,
869
  OSC-01635,2CIY-1,2CIY-1,C2I2Y2,discovery,light,,ok,0.23034,1.84272,8.0,-0.8165,1.748,,0.7222,0.34363,gaussian_dos_scf_mesh,0.00718,,
870
+ OSC-01645,1CCl2Nb2-1,1CCl2Nb2-1,CCl2Nb2,discovery,light,,ok,0.32483,2.59864,8.0,2.9568,1.6427,,0.6111,0.38989,gaussian_dos_scf_mesh,0.00262,,